1-[(E)-4-(3,4,5-trimethoxyphenyl)but-3-enyl]-1,4-diazepane

Systemtic Name: 1-[(E)-4-(3,4,5-trimethoxyphenyl)but-3-enyl]-1,4-diazepane Openeye Name: 1-[(E)-4-(3,4,5-trimethoxyphenyl)but-3-enyl]-1,4-diazepane CAS Name: 1-[(E)-4-(3,4,5-trimethoxyphenyl)but-3-enyl]-1,4-diazepane IUPAC Name: 1-[(E)-4-(3,4,5-trimethoxyphenyl)but-3-enyl]-1,4-diazepane Traditional Name: 1-[(E)-4-(3,4,5-trimethoxyphenyl)but-3-enyl]-1,4-diazepane Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=CCCN2CCCNCC2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/CCN2CCCNCC2

InChI

InChI=1S/C18H28N2O3/c1-21-16-13-15(14-17(22-2)18(16)23-3)7-4-5-10-20-11-6-8-19-9-12-20/h4,7,13-14,19H,5-6,8-12H2,1-3H3/b7-4+